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State of the Field

Most applications of the Poisson-Boltzmann (PB) equation can be placed into one of two areas investigations of the chemical physics of ionic or [Pg.147]

Reviews in Computational Chemistry, Volume 19 edited by Kenny B. Lipkowitz, Raima Larter, and Thomas R. Cundari ISBN 0-471-23585-7 Copyright 2003 Wiley-VCH, John Wiley Sons, Inc. [Pg.147]

This review is organized into four parts. We begin with a brief history of the Poisson-Boltzmann equation followed by an abbreviated derivation. In the second part the PB equation is applied to several model systems whose [Pg.149]

In the third part of this chapter we review numerical methods commonly used in applying the PB equation to more complicated systems than simpler one-dimensional representations. Because two major articles covering most aspects of the numerical solution of the PB equation have recently appeared,only an overview of the numerical work is presented, emphasizing those aspects of primary importance or those that have been given less coverage elsewhere. Included is a brief description of finite-difference/finite-element PB algorithms similar to those used in popular programs such as DelPhi, MEAD, and alternative approaches [Pg.150]

The fourth and final part introduces topics that are slightly more advanced than those considered in the first two parts. It allows the avid [Pg.150]

Clearly the design, synthesis, and characterisation of NCS inorganic materials will be of great importance for the foreseeable future. In this final section we briefly discuss the state of the field. [Pg.33]


In the previous section we discussed light and matter at equilibrium in a two-level quantum system. For the remainder of this section we will be interested in light and matter which are not at equilibrium. In particular, laser light is completely different from the thennal radiation described at the end of the previous section. In the first place, only one, or a small number of states of the field are occupied, in contrast with the Planck distribution of occupation numbers in thennal radiation. Second, the field state can have a precise phase-, in thennal radiation this phase is assumed to be random. If multiple field states are occupied in a laser they can have a precise phase relationship, something which is achieved in lasers by a teclmique called mode-locking Multiple frequencies with a precise phase relation give rise to laser pulses in time. Nanosecond experiments... [Pg.225]

Sivin, Nathan. Science and medicine in traditional China the state of the field. J Asian Studs 47, no. 1 (1988) 41-90. [Pg.333]

The number of studies describing the solubilization of drug compounds by cyclodextrins is extraordinarily large, and the recent state of the field has been summarized [64,65]. [Pg.347]

Daryl Chubin illustrates the relationships of these categories by the example (1) discipline = physics (2) subfield = high energy or elementary particle physics (3) specialty = weak interactions (4) subspecialty = experimental, rather than theoretical, studies. Daryl E. Chubin, "State of the Field The Conceptualization of Scientific Specialties," The Sociological Quarterly 17 (1976) 448476, esp. 450, 456457. [Pg.22]

Chubin, Daryl E. "State of the Field. The Conceptualization of Scientific Specialties." The Sociological Quarterly 17 (1976) 448476. [Pg.308]

In the present work, emphasis is placed on more recent work and on the present state of the field. [Pg.364]

More sophisticated theoretical calculations have been reported by Nath etal.116 In their model, the originally rather deep ground state of the field adsorbed inert gas atom is lifted close to the Fermi level by the applied field. Interaction between the field adsorbed atom and the surface occurs similar to that in ordinary chemisorption. The surface is represented by atom clusters of 4 to 14 atoms which are immersed in a jellium of positive charges and negative charges in an applied field. The variation of field strength in the near surface region, or the effect of field... [Pg.74]

Good research and development demands a knowledge and appreciation of the current state of the field, and pedagogical R D is no different in this respect. The framework for producing new materials 1 propose here grows directly from the goals 1 set out for my physical chemistry course and is conscious of the constraints inherent in the environment in which I teach. [Pg.254]

Awareness of these constraints suggests that we should avoid adding materials to an already information dense course, and instead focus on the fundamentals of the discipline. If we wish to bring in the current state of the field, it must be taught through the fundamentals - not as dessert, but as the main course. [Pg.256]

The use of photon correlation spectroscopy to study the dynamics of concentration fluctuations in polymer solutions and gels is now well established. In bulk polymers near the glass transition there will be slowly relaxing fluctuations in density and optical anisotropy which can also be studied by this technique. In this article we review the development of the field of photon correlation spectroscopy from bulk polymers. The theory of dynamic light scattering from pure liquids is presented and applied to polymers. The important experimented considerations involved in the collection and analysis of this type of data are discussed. Most of the article focuses on the dynamics of fluctuations near the glass transition in polymers. All the published work in this area is reviewed and the results are critically discussed. The current state of the field is summarized and many suggestions for further work are presented. [Pg.125]

The authors aim to provide an up-to-date report on the state of the field. Our main scientific activity involves structural and dynamic studies of paramagnetic metalloproteins, in a Research center at the University of Florence. The laboratory is a NMR Research Infrastructure resource supported by the European Union to perform a European service. We are thus exposed to the needs of the scientific community, and have responded to them in several ways, from the development of new instruments or part of them to the description of new phenomena and development of new software. Since 1985, together with colleagues from the Universities of Pisa and Siena, we have organized nine Chianti Workshops on Electron and Nuclear Relaxation, a series of conferences well known to the scientific community in the field. [Pg.381]

This class of self-assembly incorporates elements from all of the preceeding classes and involved complex processes in which there are sequential steps involving self-assembly and covalent or irreversible modification. In general such processes are only found in biology at the present state of the field. [Pg.629]

The median level of presentation is the first year graduate student. Some texts are monographs defining the current state of the field others are accessible to final year undergraduates but essentially the emphasis is on readability and clarity. [Pg.376]

It is hard to say why the study of sedimentary carbonate geochemistry started the 1960 s with such vigor and ended the decade in such a chaotic manner. The tumultuous nature of the times, sudden infusion of previously undreamed of levels of funding, and rapid addition of new investigators to the field certainly were all part of it. However, it also seems probable that frustration with the unexpected complexities of the chemical behavior of carbonates and failure to arrive at solutions of basic problems also contributed substantially to the chaotic state of the field as the 1960 s ended. These were the wild adolescent years of the field. [Pg.600]

An Introduction to Polymeric Flame Retardancy, Its Role in Materials Science, and the Current State of the Field... [Pg.1]

In this chapter, we have tried to present an essentially complete summary of the known absolute rate constants for uni- and bi-molecular reactions of silenes and disilenes in the gas phase and in solution, as the state of the field currently exists. We have also summarized some of the mechanistic insight that these data provide, and we hope that we have done so at a level of detail that those in other areas of silicon chemistry will find informative and ultimately useful. [Pg.1020]

From the above example, it should be clear that all the elementary excitations are the result of the collective interactions of the bare fields in the system, and therefore pertain to the system as a whoIe24). Elementary excitations, which will be identified with the physical particles we observe, correspond to superpositions of large numbers of exact stationary states of the field Hamiltonian it, Eq. (2.3), with a narrow spread in energy i.e. they are wave-packets. An equivalent way of saying this is that the elementary excitations interact with one another, and so have finite lifetimes their interactions may lead to reactive, inelastic or elastic scattering processes. [Pg.8]

J3, 4). Low-lying electronic excited states of metal-metal bonded complexes often involve significant changes in the electron density associated with the metal-metal bond, compared to the ground electronic state. Accordingly, study of the photochemistry of metal-metal bonded complexes not only provides potential new reaction chemistry but also provides insight into, and confirmation of, the electronic structure. This symposium volume affords us an opportunity to record the state of the field of metal-metal bond photochemistry. The aim of this article is to summarize recent research results from this laboratory and to place them in perspective in relation to results from other laboratories. [Pg.85]

The study of reactive intermediates by electrochemical means, as well as the electroanalytical methods, are broad topics which cannot exhaustively be covered in a single chapter. Here, only those electroanalytical techniques which have been reduced to practical application in this field will be considered. A great deal of effort has gone into the development of methods to describe electrode processes theoretically. Only a brief introduction to the theoretical methods for handling the diffusion-kinetic problems is included. The applications discussed cover both thermodynamic and kinetic aspects of reactive intermediate chemistry and are a sampling meant to give an indication of the current state of the field. [Pg.134]

Hydrogen ion titration curves of proteins provide a powerful tool to reveal many aspects of the structures of individual proteins. The characteristic ionization constants of the acidic and basic groups in the amino acids and peptides may be profoundly modified when these groups are incorporated in a protein molecule. An increasing number of proteins have been found in which potentially reactive groups are inaccessible for titration in the native molecule, and become available only after denaturation. Such findings can, in the years ahead, be correlated with detailed knowledge of the three dimensional structure of proteins, as obtained by X-ray diffraction and other methods. The present state of the field is reviewed by Tanford, who has done so much to advance it over the last decade. [Pg.420]

In this brief overview we can only touch on very few aspects of a vast and growing field. Our only goal here is to provide some structure so that newcomers, in particular, may more rapidly put the various questions and the various techniques into proper perspective, and obtain a first impression of the present state of the field and of where it is going, as we see it. Taken along with the other chapters of the book (referred to by the name of an author in capital letters) and the other references cited, we believe that this impression should be reasonably unbiased. [Pg.2]

In summary, we have tried to overview the state of the field of nanoaperture enhanced fluorescence. While much is known currently about the photophysics of an isolated aperture, it is clear that much more work needs to be performed in order to understand, and maximize, fluorescence enhancement effects from arrangements of apertures and structured apertures. In particular, the relative contributicms of radiative and non-radiative processes have (Hily beoi studied in a couple of experiments, and limited computaticHial work has been performed. In addition, the role of emission directicHiality is not clear at present and requires further study. [Pg.521]

Our review of cyclopropanone chemistry is intended to be illustrative of the current state of the field without attempting to be exhaustive in cataloging all examples of the formation of this system and all types of reactivity. For a more detailed coverage of aspects of this subject, the reader is referred to earlier reviews by Turro and by Wasserman and coworkers. ... [Pg.1456]

We remark that, with the cavity dressed state model (19), the field intensity does not appear explicitly. It depends on the average number of photons contained in the initial state of the field. The connection between this model and the Floquet formulation is given by the following property Since the radiation... [Pg.155]

Intensive investigations in this field were started in 1950 and 1960 [6, 343, 410, 520], The first theoretical considerations were suggested in the works of Inoue, Cionco, Lemon, Cowan, and Menzhulin [155,407,409, 522], The recent state of the field has been summarized in the publications of Raupach and Thom, Dubov et al. (1981), Finnigan (2000) [155, 187, 522], as well as in Chapters 4 and 5 of this book. Let us briefly consider the most significant results in this field. [Pg.3]


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